SCHEMBL21786907

SCHEMBL21786907

CN(CCCCCC(=O)NCCOCCOCCOCCOCCC(=O)NCC(C)(C)SSCO[C@@H]1C[C@H](n2cnc3c(=O)[nH]c(N)nc32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)c1ccc(SO)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KRAS P01116 11/20 0.42
P2RY2 P41231 1/20 0.40
P2RY4 P51582 1/20 0.40
P2RY6 Q15077 1/20 0.40
POLB P06746 1/20 0.39
FUT5 Q11128 1/20 0.37
FUT6 P51993 3/20 0.35
F2 P00734 1/20 0.35
TGM2 P21980 1/20 0.35
TERT O14746 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24913480 0.88 KRAS (0.45) KRASP2RY2P2RY4P2RY6POLB
SCHEMBL24913374 0.86 POLB (0.47) KRASP2RY2P2RY4P2RY6POLB
SCHEMBL21787165 0.86 POLB (0.47) KRASP2RY2P2RY4P2RY6POLB
SCHEMBL24913350 0.86 POLB (0.47) KRASP2RY2P2RY4P2RY6POLB
SCHEMBL24913351 0.86 POLB (0.47) KRASP2RY2P2RY4P2RY6POLB
SCHEMBL24913296 0.82 POLB (0.51) KRASP2RY2P2RY4P2RY6POLB
SCHEMBL21786804 0.81 P2RY2 (0.43) KRASP2RY2P2RY4P2RY6POLB
SCHEMBL21786807 0.81 P2RY2 (0.43) KRASP2RY2P2RY4P2RY6POLB
SCHEMBL19662597 0.81 P2RY2 (0.43) KRASP2RY2P2RY4P2RY6POLB
SCHEMBL21787069 0.79 KRAS (0.39) KRASP2RY2P2RY4P2RY6POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-03-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, RNGTT KRAS 1112/4885P2RY2 1781/4885P2RY4 1125/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.